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Compound Detail

CHEMBL5425346

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C/C=C1/C[N+]2(C)CC[C@@]34C[C@H]5[C@@H]6C[C@H]7c8c(c9ccccc9n8C)C[C@@H]([C@@H]6CO[C@@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N7C.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425346
Phase Preclinical
Structure Type MOL
InChI Key QUWLWKKEKQUUNR-MPXKXIRZSA-M
Parent Compound CHEMBL5499622
Active Moiety CHEMBL5499622
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

675.9
MW (Da)
5.69
ALogP
7
HBA
0
HBD
56.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H51ClN4O4
MW 711.35
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness 1.80

Literature References

PubMed DOI Target Context # Activities
36170798 10.1016/j.ejmech.2022.114748 HT-29 1

Data from ChEMBL 36 via Core Engine